UCSF

ZINC36991915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 10.5 -48.68 2 2 1 40 265.38 5
Mid Mid (pH 6-8) 3.37 9.78 -5.26 1 2 0 36 264.372 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )